3-(dimethylamino)-2,6-dimethyloxan-4-ol

C9H19NO2 — CID 135040743

IUPAC3-(dimethylamino)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)C(N(C)C)C(C)O1
InChIInChI=1S/C9H19NO2/c1-6-5-8(11)9(10(3)4)7(2)12-6/h6-9,11H,5H2,1-4H3
InChIKeyHADQOGPISLSUTA-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.47
Rot. Bonds1

About 3-(dimethylamino)-2,6-dimethyloxan-4-ol

3-(dimethylamino)-2,6-dimethyloxan-4-ol (PubChem CID 135040743) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(dimethylamino)-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2,6-dimethyloxan-4-ol
PubChem CID135040743
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(dimethylamino)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)C(N(C)C)C(C)O1
InChIInChI=1S/C9H19NO2/c1-6-5-8(11)9(10(3)4)7(2)12-6/h6-9,11H,5H2,1-4H3
InChIKeyHADQOGPISLSUTA-UHFFFAOYSA-N
XLogP0.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,6-dimethyloxan-4-ol?
The IUPAC name of 3-(dimethylamino)-2,6-dimethyloxan-4-ol (CID 135040743) is 3-(dimethylamino)-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 3-(dimethylamino)-2,6-dimethyloxan-4-ol?
The canonical SMILES for 3-(dimethylamino)-2,6-dimethyloxan-4-ol is CC1CC(O)C(N(C)C)C(C)O1.
What is the InChIKey of 3-(dimethylamino)-2,6-dimethyloxan-4-ol?
The InChIKey is HADQOGPISLSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-5-8(11)9(10(3)4)7(2)12-6/h6-9,11H,5H2,1-4H3.
What are the key properties of 3-(dimethylamino)-2,6-dimethyloxan-4-ol?
3-(dimethylamino)-2,6-dimethyloxan-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 135040743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).